1,6-Dimethoxynaphthalene

C₁₂H₁₂O₂CAS 3900-49-0188.23 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₁₂O₂
Molar mass: 188.23 g/mol
Exact mass: 188.0837 Da
logP: 2.86Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

3900-49-0

SMILES

COC1=CC2=C(C=C1)C(=CC=C2)OC

InChIKey

RBUFUWIWCCOVOS-UHFFFAOYSA-N

InChI

InChI=1S/C12H12O2/c1-13-10-6-7-11-9(8-10)4-3-5-12(11)14-2/h3-8H,1-2H3

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Names and synonyms

1 names

2,5-Dimethoxynaphthalene

Work with 1,6-Dimethoxynaphthalene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Methoxynaphthalene2216-69-562 % similar β-Naphthol methyl ether93-04-957 % similar 6-Methoxy-1-naphthoic acid36112-61-554 % similar 1-Methoxypyrene34246-96-352 % similar 1,2,4-Trimethoxybenzene135-77-350 % similar 1,3-Dimethoxybenzene151-10-050 % similar 2,5-Dimethoxytoluene24599-58-450 % similar 2-Chloro-1,4-dimethoxybenzene2100-42-748 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1,4-Dimethoxynaphthalene10075-62-4 2-Acetyl-1-tetralone17216-08-9 Allyl cinnamate1866-31-5 2,3-Bis(hydroxymethyl)naphthalene31554-15-1 2,7-Dimethoxynaphthalene3469-26-9 3-(Phenylmethylene)-2,4-pentanedione4335-90-4 5-Phenylcyclohexane-1,3-dione493-72-1 2,6-Dimethoxynaphthalene5486-55-5

Elsewhere

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